Cyclopenta-1,3-diene;trichlorotitanium(1+)

Base Information

• Chemical Name: Cyclopenta-1,3-diene;trichlorotitanium(1+)
• CAS No.: 1270-98-0
• Molecular Formula: C5H5 Cl3 Ti
• Molecular Weight: 219.334
• Hs Code.: 29310099
• Mol file: 1270-98-0.mol

Synonyms:

Chemical Property of Cyclopenta-1,3-diene;trichlorotitanium(1+)

Chemical Property:

• Appearance/Colour: yellow to orange crystals or crystalline powder
• Vapor Pressure: 418mmHg at 25°C
• Melting Point: 210 ºC (dec.)(lit.)
• Refractive Index: 1.47
• Boiling Point: 41.5 ºCat 760 mmHg
• Flash Point: >210ºC
• PSA: 0.00000
• Density: g/cm³
• LogP: 3.09000
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 217.893624
• Heavy Atom Count: 9
• Complexity: 51.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclopentadienyltitanium(IV) trichloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [CH-]1C=CC=C1.Cl[Ti+](Cl)Cl
• Uses: Precursor for cyclopentadienyltitanium(IV) complexes, and used as catalysts for alkene polymerizations.

Technology Process of Cyclopenta-1,3-diene;trichlorotitanium(1+)

There total 47 articles about Cyclopenta-1,3-diene;trichlorotitanium(1+) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

bis(cyclopentadienyl)titanium dichloride (1271-19-8) + titanium tetrachloride (7550-45-0) → cyclopentadienyl titanium(IV) trichloride (1270-98-0)

Guidance literature:

In xylene; addn. of TiCl4 to a soln. of Ti-complex in xylene, refluxing for 3 h under Ar; cooling to room temp., crystn., careful decantation of solvent under argon, washing with n-hexane, heating in benzene with some decolourizing charcoal, hot filtn., setting aside overnight, crystn., concn. of remaining soln. yields second crop;

DOI:10.1016/0022-328X(94)80154-1

Reference yield: 90.0%

(C5H5)2TiCH3*(C2H5)2O (74304-33-9) → bis(cyclopentadienyl)titanium dichloride (1271-19-8) + cyclopentadienyl titanium(IV) trichloride (1270-98-0) + methane (34557-54-5,27936-85-2) + hydrogen (1333-74-0)

Guidance literature:

With hydrogenchloride; In diethyl ether; (Ar); to soln. of Ti complex was added threefold excess of HCl in etherat -78°C, mixt. was slowly warmed up to room temp.; solvent was decanted and residue extd. with pentane, eytt. yielded CpTiCl3, residue was extd. with CH2Cl2, yielding Cp2TiCl2; identification by spectroscopy;

DOI:10.1016/S0022-328X(00)83701-8

Reference yield: 70.0%

(C5H5)TiCl2NHC6H5 → cyclopentadienyl titanium(IV) trichloride (1270-98-0) + [(η(5)-C5H5)TiCl(μ-NPh)]2

Guidance literature:

In solid; byproducts: aniline, aniline hydrochloride; finely powdered complex was heated at 0.02 mm Hg;; volatile products (PhNH2 and PhNH2*HCl) were collected at -196°C in a trap, CpTiCl3 subsequently sublimed, the residue ((CpTiCl)2(μ-NPh)2) sublimed at 0.001 mm Hg; PhNH2*HCl and CpTiCl3 were identified by IR spectra;;

DOI:10.1016/0022-328X(85)80047-4

upstream raw materials:

[TiCl3(η(6)-hexamethylbenzene)]AlCl4

titanium tetrachloride

chloro-trimethyl-silane

dimethyltitanocene

Downstream raw materials:

cyclopentadienyl-titanium Cl₂(OC₆H₅)

dichloro(η5-cyclopentadienyl)(tetrahydrofuran)titanium(III)

nitrogen

ammonia

Refernces

• 1、 Erker, Gerhard,Korek, Uwe,Petrenz, Ralph,Rheingold, Arnold L.. "Preparation of metallacyclic titanocene hydrocarbyl complexes and their use in propene polymerization reactions". . p. 215 - 231. Retrieved 1991.
• 2、 Cardoso, Ana M.,Clark, Robin J. H.,Moorhause, Stephen. "REACTIONS OF TRIMETHYLSILYLCYCLOPENTADIENE DERIVATIVES WITH TITANIUM, NIOBIUM, AND TANTALUM HALIDES". . p. 1156 - 1160. Retrieved 1980.
• 3、 Jekel-Vroegop, C. T.,Teuben, J. H.. "MONOALKYL- AND MONOARYL-AMIDOTITANIUM COMPLEXES". . p. 309 - 316. Retrieved 1985.
• 4、 Berget, Patrick E.,Schore, Neil E.. "Recycling titanocene dichloride from the petasis methylenation reaction". . p. 552 - 553. Retrieved 2006.
• 5、 Vroegop, Christina T.,Teuben, Jan H.,Bolhuis, Fre van,Linden, Johannes G. M. van der. "New Amido- and Imido-titanium Complexes". . p. 550 - 552. Retrieved 1983.
• 6、 Nieman, J.,Pattiasina, J. W.,Teuben, J. H.. "SYNTHESIS AND CHARACTERIZATION OF BIS-BENZYL AND BIS-ALLYL COMPLEXES OF TITANIUM(III) AND VANADIUM(III); CATALYTIC ISOMERIZATION OF ALKENES WITH CpV(η3-C3H5)2". . p. 157 - 170. Retrieved 1984.
• 7、 Klein, Heinz-Peter,Thewalt, Ulf,Doeppert, Karl,Sanchez-Delgado, Roberto. "DARSTELLUNG, STRUKTUR UND EIGENSCHAFTEN DES DREI-KERNIGEN TITANKOMPLEXES (?-C5H5)2TiCl-O-Ti(?-C5H5)Cl-O-TiCl(?-C5H5)2*CHCl3". . p. 189 - 196. Retrieved 1982.
• 8、 Huang, Kuo-Wei,Waymouth, Robert M.. "Coordination chemistry of stable radicals: Homolysis of a titanium-oxygen bond". . p. 8200 - 8201. Retrieved 2007/10/03.